HRID669133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID31268

Pyrrolidine

C4H9N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OCC(C)(C)C(=O)O)C12C(=O)Nc1cc(Cl)ccc12

HCID76567861

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OCC(C)(C)C(=O)N2CCCC2)C12C(=O)Nc1cc(Cl)ccc12

HCID74928791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55e171bc537a4440ae731ab88b814314
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45]1.[CH2:46]([Cl:47])[CH2:48][Cl:49].[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([c:33]2[c:34]([CH3:40])[cH:35][cH:36][c:37]([F:39])[cH:38]2)[NH:13][C:14](=[O:32])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][CH2:25][C:26]([CH3:27])([CH3:28])[C:29](=[O:30])[OH:31])[cH:19][cH:20][c:21]([Cl:23])[cH:22]1.[ClH:50].[OH:51][n:52]1[c:53]2[c:54]([cH:55][cH:56][cH:57][cH:58]2)[n:59][n:60]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([c:33]2[c:34]([CH3:40])[cH:35][cH:36][c:37]([F:39])[cH:38]2)[NH:13][C:14](=[O:32])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][CH2:25][C:26]([CH3:27])([CH3:28])[C:29](=[O:30])[N:44]2[CH2:43][CH2:42][CH2:41][CH2:45]2)[cH:19][cH:20][c:21]([Cl:23])[cH:22]1